![CAS 31183-91-2 2-[(2-amino-5-methylphenyl)dithio]-4-methylaniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42132666(1).gif)
CAS RN: 31183-91-2
2-[(2-amino-5-methylphenyl)dithio]-4-methylaniline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251209 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31183-91-2
- Purity/Analytical Methods: >99.0%
31183-91-2 / 2-[(2-amino-5-methylphenyl)disulfanyl]-4-methylaniline
Basic Information
CAS
31183-91-2
Multi CAS
Yes
Molecular Formula
C14H16N2S2
Molecular Weight
276.400000
Exact Mass
276.075491
InChI
InChI=1S/C14H16N2S2/c1-9-3-5-11(15)13(7-9)17-18-14-8-10(2)4-6-12(14)16/h3-8H,15-16H2,1-2H3
InChIKey
RAQHRJVDSRBFNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.9
TPSA
52.04
LogP / Solubility
WLOGP
4.27
MLOGP
3.76
XLogP3
3.8
Consensus LogP
3.94
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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